2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one

C20H28N2O — CID 142430105

IUPAC2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one
SMILESC=CC1=C(C=C)N(C)C2CCN(CC(/C=C\C)=C/C)CC2C1=O
InChIInChI=1S/C20H28N2O/c1-6-10-15(7-2)13-22-12-11-19-17(14-22)20(23)16(8-3)18(9-4)21(19)5/h6-10,17,19H,3-4,11-14H2,1-2,5H3/b10-6-,15-7+
InChIKeyLVFIXYSCKKSYLO-GLAPMDOXSA-N
MW312.46 g/mol
LogP3.34
Rot. Bonds5

About 2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one

2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one (PubChem CID 142430105) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one
PubChem CID142430105
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one
SMILESC=CC1=C(C=C)N(C)C2CCN(CC(/C=C\C)=C/C)CC2C1=O
InChIInChI=1S/C20H28N2O/c1-6-10-15(7-2)13-22-12-11-19-17(14-22)20(23)16(8-3)18(9-4)21(19)5/h6-10,17,19H,3-4,11-14H2,1-2,5H3/b10-6-,15-7+
InChIKeyLVFIXYSCKKSYLO-GLAPMDOXSA-N
XLogP3.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one?
The IUPAC name of 2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one (CID 142430105) is 2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one.
What is the SMILES notation for 2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one?
The canonical SMILES for 2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one is C=CC1=C(C=C)N(C)C2CCN(CC(/C=C\C)=C/C)CC2C1=O.
What is the InChIKey of 2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one?
The InChIKey is LVFIXYSCKKSYLO-GLAPMDOXSA-N. The full InChI is InChI=1S/C20H28N2O/c1-6-10-15(7-2)13-22-12-11-19-17(14-22)20(23)16(8-3)18(9-4)21(19)5/h6-10,17,19H,3-4,11-14H2,1-2,5H3/b10-6-,15-7+.
What are the key properties of 2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one?
2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one has a molecular weight of 312.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-6-[(Z,2E)-2-ethylidenepent-3-enyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridin-4-one is sourced from PubChem (CID 142430105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).